| SpectraBase Compound ID | LEmcVbaierM |
|---|---|
| InChI | InChI=1S/C13H24O2/c1-11(14)7-5-9-13(3,4)10-6-8-12(2)15/h5-10H2,1-4H3 |
| InChIKey | QWTCZOGKRNRGSW-UHFFFAOYSA-N |
| Mol Weight | 212.33 g/mol |
| Molecular Formula | C13H24O2 |
| Exact Mass | 212.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ClWICz9DxXg |
|---|---|
| Name | 6,6-Dimethyl-2,10-undecanedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.177630011 u |
| Formula | C13H24O2 |
| InChI | InChI=1S/C13H24O2/c1-11(14)7-5-9-13(3,4)10-6-8-12(2)15/h5-10H2,1-4H3 |
| InChIKey | QWTCZOGKRNRGSW-UHFFFAOYSA-N |
| Molecular Weight | 212.333 g/mol |
| SMILES | C(=O)(CCCC(CCCC(=O)C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986633 |